0 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.29 CC(C)OCCCC(N)C(=O)O MCULE-9893578582 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,0,0|0,0,2]=2 24 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,0|0,0,2]=2 25 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,0|0,0,2]=2 26 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,0|0,0,2]=2 27 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,0|1,0,2]=3 31 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,0|0,0,2]=2 32 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,0|0,0,2]=2 33 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,0|0,0,2]=2 34 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,0|0,0,2]=2 35 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,0|1,0,2]=3 38 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,0|0,0,2]=2 40 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,0|0,0,2]=2 41 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,0|0,0,2]=2 42 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,0|1,0,2]=3 44 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,0|1,0,2]=3 46 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,0|1,0,2]=3 47 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,0|1,0,2]=3 49 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,0|1,0,1]=2 50 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,0|1,0,1]=2 51 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,0|1,0,1]=2 52 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,0|0,0,0]=0 53 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,0|1,0,0]=1 54 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,0|1,0,0]=1 55 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,0|1,0,1]=2 56 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,0|1,0,1]=2 57 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,0|1,0,1]=2 58 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,0|1,1,1]=3 59 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,0|1,0,1]=2 60 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,0|1,0,1]=2 61 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,0|1,0,1]=2 62 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,0|1,0,1]=2 63 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,0|1,0,1]=2 64 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,0|1,0,1]=2 65 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,0|3,0,0]=3 66 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,0,0|4,0,0]=4 70 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,0,0|4,0,0]=4 71 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,0|3,0,0]=3 72 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,0|3,0,0]=3 76 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,0|3,0,0]=3 77 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,0|4,0,0]=4 78 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,0|0,0,2]=2 79 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,0,0,0,0,0|2,0,0]=3 84 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,0,0,0,0,0|2,0,0]=3 86 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,0,0,0,0,0|2,0,0]=3 88 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,0,0,0,0,0|2,0,1]=4 92 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,0,0,0,0,0|1,0,1]=3 102 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,0,0,0,0,0|1,0,1]=3 103 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,0,0,0,0,0|1,0,1]=3 104 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,0,0,0,0,0|1,0,1]=3 105 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,0,0,0,0,0|2,0,1]=4 106 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [1,0,0,0,0,0|1,0,1]=3 108 B10R0.75 [N-]=[N+]=NCCC[C@@H]([NH3+])C(=O)O MCULE-7342778742 [1,0,0,0,0,0|1,0,2]=4 109 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [1,0,0,0,0,0|1,0,1]=3 110 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [1,0,0,0,0,0|1,0,1]=3 111 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.75 [N-]=[N+]=NCCC[C@H]([NH3+])C(=O)O MCULE-6281928342 [1,0,0,0,0,0|1,0,2]=4 113 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [1,0,0,0,0,0|3,0,0]=4 115 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [1,0,0,0,0,0|0,0,2]=3 120 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [1,0,0,0,0,0|1,0,1]=3 121 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,0|1,0,1]=3 122 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [1,0,0,0,0,0|1,0,1]=3 123 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [1,0,0,0,0,0|3,0,0]=4 124 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [0,1,0,0,0,0|0,0,2]=3 125 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,1,0,0,0,0|1,0,1]=3 126 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [0,1,0,0,0,0|0,0,2]=3 127 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [0,1,0,0,0,0|0,0,2]=3 128 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [0,1,0,0,0,0|0,0,2]=3 129 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [0,1,0,0,0,0|0,0,2]=3 130 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [0,1,0,0,0,0|0,0,2]=3 131 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,1,0,0,0,0|1,0,1]=3 132 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,1,0,0,0,0|1,0,1]=3 133 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-1024230738 [0,1,0,0,0,0|1,0,2]=4 134 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-8644239659 [0,1,0,0,0,0|1,0,2]=4 135 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [0,1,0,0,0,0|0,0,2]=3 136 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [0,1,0,0,0,0|0,0,2]=3 137 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [0,1,0,0,0,0|0,0,2]=3 138 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [0,1,0,0,0,0|0,0,2]=3 139 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4264441244 [0,1,0,0,0,0|0,1,2]=4 140 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4986536109 [0,1,0,0,0,0|0,1,2]=4 141 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [0,1,0,0,0,0|1,1,1]=4 142 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [0,1,0,0,0,0|1,1,1]=4 143 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [0,1,0,0,0,0|1,1,1]=4 144 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [0,1,0,0,0,0|1,1,1]=4 145 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [0,1,0,0,0,0|0,0,2]=3 146 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [0,1,0,0,0,0|0,0,2]=3 147 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [0,1,0,0,0,0|0,0,2]=3 149 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [0,1,0,0,0,0|1,0,2]=4 150 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [0,1,0,0,0,0|0,0,2]=3 152 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [0,1,0,0,0,0|0,0,2]=3 153 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [0,1,0,0,0,0|0,0,2]=3 154 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [0,1,0,0,0,0|0,0,2]=3 155 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [0,1,0,0,0,0|0,0,2]=3 156 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [0,1,0,0,0,0|0,0,2]=3 157 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [0,1,0,0,0,0|1,0,0]=2 158 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [0,1,0,0,0,0|1,0,2]=4 159 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [0,1,0,0,0,0|1,0,2]=4 160 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [0,1,0,0,0,0|0,0,2]=3 161 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [0,1,0,0,0,0|0,0,2]=3 162 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,1,0,0,0,0|0,0,2]=3 163 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,1,0,0,0,0|0,0,2]=3 164 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,0,0|0,0,2]=3 165 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,0,0|0,0,2]=3 166 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,0,0|0,0,2]=3 167 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,0,0|0,0,2]=3 168 B12R0.238 NC(=NCCCC(CS)C(=O)O)N MCULE-8475208285 [0,1,0,0,0,0|1,0,0]=2 169 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,1,0,0,0,0|3,0,0]=4 171 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.104 NC(CC1=CN=C(N1)F)C(=O)O MCULE-4832311809 [0,0,0,1,0,0|1,0,2]=4 174 B12R1.104 N[C@@H](CC1=CN=C(N1)F)C(=O)O MCULE-6234842384 [0,0,0,1,0,0|1,0,2]=4 175 B12R1.104 N[C@@H](CC1=CN=C(N1)I)C(=O)O MCULE-2987771351 [0,0,0,1,0,0|1,0,2]=4 176 B12R1.104 N[C@H](CC1=CN=C(N1)F)C(=O)O MCULE-1359887597 [0,0,0,1,0,0|1,0,2]=4 177 B12R1.258 N=C(N)N1CCCC(C1)C(=O)O MCULE-9318604892 [0,0,0,1,0,0|1,0,2]=4 178 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,0,0|3,0,0]=4 179 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,0,0|3,0,0]=4 180 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,0|2,0,1]=4 181 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,0|3,0,0]=4 183 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,0,0|3,0,0]=4 184 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,0,0,1,0,0|3,0,0]=4 185 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,1,0|3,0,0]=4 186 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,1,0|2,0,1]=4 187 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,1,0|2,0,1]=4 188 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,1,0|3,0,0]=4 189 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,1,0|3,0,0]=4 190 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,1,0|3,0,0]=4 191 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,1,0|3,0,0]=4 192 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,1,0|2,0,1]=4 193 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,1,0|2,0,1]=4 194 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,1,0|2,0,1]=4 195 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,1,0|2,0,1]=4 196 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,0,0,0,1,0|2,0,1]=4 197 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,0,0,0,1,0|2,0,1]=4 198 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,1,0|3,0,0]=4 199 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,1,0|0,0,2]=3 200 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,1,0|0,0,2]=3 201 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,1,0|0,0,2]=3 202 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,1,0|0,0,2]=3 203 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,1,0|2,0,0]=3 204 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,1,0|2,0,0]=3 205 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,1,0|2,0,0]=3 206 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,1,0|3,0,0]=4 207 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,1,0|2,0,0]=3 208 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,1,0|2,0,0]=3 209 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,1,0|3,0,0]=4 210 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,1,0|3,0,0]=4 211 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,1,0|2,0,0]=3 212 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,1,0|2,0,0]=3 213 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,1,0|3,0,0]=4 214 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,1,0|3,0,0]=4 215 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,1|1,0,0]=2 216 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,0,0,0,0,1|1,0,2]=4 217 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,0,0,0,0,1|1,0,2]=4 218 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,0,0,0,0,1|1,0,2]=4 219 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,0,0,0,0,1|1,0,2]=4 220 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,0,0,0,0,1|1,0,2]=4 221 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,1|3,0,0]=4 222 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,1|3,0,0]=4 223 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,1|2,0,1]=4 224 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,1|2,0,1]=4 225 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,1|2,0,1]=4 226 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,1|2,0,1]=4 227 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,1|2,0,1]=4 228 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,1|2,0,1]=4 229 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,1|2,0,1]=4 230 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,1|0,0,2]=3 231 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,1|0,0,2]=3 232 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,1|0,0,2]=3 233 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,1|0,0,2]=3 234 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,1|0,0,2]=3 235 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,1|0,0,2]=3 236 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,1|0,0,2]=3 237 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,1|0,0,2]=3 238 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,1|0,0,2]=3 239 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,1|0,0,2]=3 240 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,1|1,0,1]=3 241 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,1|1,0,1]=3 242 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,1|1,0,1]=3 243 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,1|1,0,1]=3 244 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,1|1,0,1]=3 245 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,1|1,0,1]=3 246 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,1|3,0,0]=4 247 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,1|3,0,0]=4 248 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,1|3,0,0]=4 249 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,1|3,0,0]=4 250 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,1|3,0,0]=4 251 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,1|3,0,0]=4 252 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,1|3,0,0]=4 253 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,1|3,0,0]=4 254 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,1|2,0,1]=4 255 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,0,0,0,0,1|2,0,1]=4 256 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,0,0,0,0,1|0,0,2]=3 257 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 263 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 264 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [2,0,0,0,0,0|0,0,1]=3 266 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [2,0,0,0,0,0|0,0,1]=3 267 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [2,0,0,0,0,0|0,0,1]=3 272 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [2,0,0,0,0,0|1,0,0]=3 273 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [2,0,0,0,0,0|1,0,0]=3 274 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [2,0,0,0,0,0|1,0,0]=3 275 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [2,0,0,0,0,0|1,0,0]=3 276 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [2,0,0,0,0,0|1,0,0]=3 277 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [2,0,0,0,0,0|1,0,0]=3 278 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [2,0,0,0,0,0|1,0,0]=3 279 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [2,0,0,0,0,0|2,0,0]=4 281 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [2,0,0,0,0,0|2,0,0]=4 282 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [2,0,0,0,0,0|2,0,0]=4 285 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [2,0,0,0,0,0|2,0,0]=4 287 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [2,0,0,0,0,0|1,0,1]=4 288 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [2,0,0,0,0,0|1,0,1]=4 289 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [2,0,0,0,0,0|1,0,1]=4 290 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [2,0,0,0,0,0|1,0,1]=4 291 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [2,0,0,0,0,0|1,0,1]=4 292 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [2,0,0,0,0,0|1,0,1]=4 293 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [2,0,0,0,0,0|1,0,1]=4 294 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [2,0,0,0,0,0|1,0,1]=4 295 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [2,0,0,0,0,0|1,0,1]=4 296 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [2,0,0,0,0,0|1,0,1]=4 297 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [2,0,0,0,0,0|1,0,1]=4 298 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [2,0,0,0,0,0|1,0,1]=4 299 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [2,0,0,0,0,0|0,0,1]=3 300 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [2,0,0,0,0,0|0,0,1]=3 301 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [2,0,0,0,0,0|0,0,1]=3 302 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [2,0,0,0,0,0|0,0,1]=3 303 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [2,0,0,0,0,0|0,0,1]=3 304 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [2,0,0,0,0,0|0,0,1]=3 305 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [2,0,0,0,0,0|0,0,1]=3 306 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [2,0,0,0,0,0|0,0,1]=3 307 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [2,0,0,0,0,0|0,0,1]=3 308 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [2,0,0,0,0,0|1,0,1]=4 310 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [2,0,0,0,0,0|1,0,1]=4 311 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [2,0,0,0,0,0|1,0,1]=4 312 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [2,0,0,0,0,0|0,0,1]=3 313 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [2,0,0,0,0,0|0,0,1]=3 314 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [2,0,0,0,0,0|0,0,1]=3 315 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [2,0,0,0,0,0|0,0,1]=3 316 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [2,0,0,0,0,0|0,0,1]=3 317 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [2,0,0,0,0,0|0,0,1]=3 318 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [2,0,0,0,0,0|0,0,1]=3 319 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [2,0,0,0,0,0|0,0,1]=3 320 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [2,0,0,0,0,0|0,0,1]=3 321 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [2,0,0,0,0,0|0,0,1]=3 322 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [2,0,0,0,0,0|0,0,1]=3 323 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [2,0,0,0,0,0|0,0,2]=4 324 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [2,0,0,0,0,0|1,0,1]=4 325 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [2,0,0,0,0,0|1,0,1]=4 326 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [2,0,0,0,0,0|1,0,1]=4 327 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [2,0,0,0,0,0|1,0,1]=4 333 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [2,0,0,0,0,0|1,0,1]=4 334 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [2,0,0,0,0,0|1,0,1]=4 336 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [2,0,0,0,0,0|1,0,1]=4 337 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [2,0,0,0,0,0|1,0,1]=4 338 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [2,0,0,0,0,0|1,0,1]=4 339 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [2,0,0,0,0,0|1,0,1]=4 340 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [2,0,0,0,0,0|1,0,1]=4 343 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [2,0,0,0,0,0|1,0,1]=4 344 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [2,0,0,0,0,0|2,0,0]=4 345 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [2,0,0,0,0,0|0,0,1]=3 346 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [2,0,0,0,0,0|0,0,1]=3 347 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [2,0,0,0,0,0|1,0,1]=4 348 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [2,0,0,0,0,0|1,0,1]=4 349 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [2,0,0,0,0,0|1,0,1]=4 352 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|2,0,0]=4 353 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|2,0,0]=4 354 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|2,0,0]=4 355 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|2,0,0]=4 356 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|2,0,0]=4 357 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|2,0,0]=4 358 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|2,0,0]=4 359 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|2,0,0]=4 360 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|2,0,0]=4 361 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|2,0,0]=4 362 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|2,0,0]=4 363 B11R0.42 N/N=C/NCCCC(N)C(=O)N MCULE-5390375108 [1,1,0,0,0,0|1,0,1]=4 364 B11R0.42 N/N=C/NCCC[C@@H](N)C(=O)N MCULE-1451777480 [1,1,0,0,0,0|1,0,1]=4 365 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [1,1,0,0,0,0|1,0,1]=4 366 B11R0.42 N[C@@H](CCCCN=[N+]=[N-])C(=O)O MCULE-1235238069 [1,1,0,0,0,0|1,0,1]=4 367 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [1,1,0,0,0,0|1,0,1]=4 368 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [1,1,0,0,0,0|1,0,1]=4 369 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O MCULE-4439689174 [1,1,0,0,0,0|1,0,1]=4 370 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-2268932366 [1,1,0,0,0,0|1,0,1]=4 371 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5050271888 [1,1,0,0,0,0|1,0,1]=4 372 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5569498677 [1,1,0,0,0,0|1,0,1]=4 373 B11R0.125 C=CCCCC[C@@](C)(N)C(=O)O MCULE-6510689748 [1,1,0,0,0,0|2,0,0]=4 374 B11R0.125 C=CCCCC[C@](C)(N)C(=O)O MCULE-8447084960 [1,1,0,0,0,0|2,0,0]=4 375 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,1,0|2,0,0]=4 376 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,1,0|2,0,0]=4 377 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,1,0|2,0,0]=4 378 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,1,0|2,0,0]=4 379 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,1,0|2,0,0]=4 380 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,1,0|2,0,0]=4 381 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,1,0|2,0,0]=4 382 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-4372790310 [0,1,0,0,0,1|1,0,0]=3 383 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-7941504198 [0,1,0,0,0,1|1,0,0]=3 384 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-3597819106 [0,2,0,0,0,0|0,0,2]=4 385 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-4640909601 [0,2,0,0,0,0|0,0,2]=4 386 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-6928747390 [0,2,0,0,0,0|0,0,2]=4 387 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-3515414314 [0,2,0,0,0,0|0,0,2]=4 388 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-6624527926 [0,2,0,0,0,0|0,0,2]=4 389 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-7294596356 [0,2,0,0,0,0|0,0,2]=4 390 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-9921754152 [0,2,0,0,0,0|0,0,2]=4 391 B13R0.1121 C/N=C(\NC)/NCCC[C@H](N)C(=O)O MCULE-2043912759 [0,2,0,0,0,0|0,0,2]=4 392 B13R0.1121 CNC(=NCCCC(N)C(=O)O)NC MCULE-1257057066 [0,2,0,0,0,0|0,0,0]=2 393 B13R0.1121 CNC(=NCCC[C@@H](N)C(=O)O)NC MCULE-3053842404 [0,2,0,0,0,0|0,0,0]=2 394 B13R0.1121 CNC(=NCCC[C@H](N)C(=O)O)NC MCULE-4273417067 [0,2,0,0,0,0|0,0,0]=2 395 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-2221977105 [1,0,0,1,0,0|0,0,2]=4 396 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-4252889481 [1,0,0,1,0,0|0,0,2]=4 397 B11R1.35 NC(CC1=NN=CN1)C(=O)O MCULE-9972656521 [1,0,0,1,0,0|1,0,1]=4 398 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O MCULE-2087791673 [1,0,0,1,0,0|0,0,2]=4 399 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [1,0,0,1,0,0|1,0,1]=4 401 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [1,0,0,1,0,0|1,0,1]=4 402 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [1,0,0,1,0,0|2,0,0]=4 404 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [1,0,0,1,0,0|0,0,2]=4 405 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [1,0,0,1,0,0|1,0,1]=4 407 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [1,0,0,1,0,0|1,0,1]=4 408 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [1,0,0,1,0,0|1,0,1]=4 409 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,1,0|2,0,0]=4 410 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,1,0|2,0,0]=4 411 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,1,0|2,0,0]=4 412 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,0,0,1,1,0|2,0,0]=4 413 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,1,0|2,0,0]=4 414 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,1,0|2,0,0]=4 415 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,1,0|2,0,0]=4 416 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,1,0|2,0,0]=4 417 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,2,0|2,0,0]=4 418 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,2,0|0,0,2]=4 419 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,2,0|0,0,2]=4 420 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,2,0|0,0,2]=4 421 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,2,0|0,0,2]=4 422 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,2,0|0,0,2]=4 423 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,2,0|0,0,2]=4 424 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,2,0|0,0,2]=4 425 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,2,0|0,0,2]=4 426 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,2,0|1,0,0]=3 427 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,2,0|2,0,0]=4 428 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,2,0|2,0,0]=4 429 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,2,0|2,0,0]=4 430 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,2,0|2,0,0]=4 431 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,2,0|1,0,0]=3 432 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,2,0|1,0,0]=3 433 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,2,0|2,0,0]=4 434 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,2,0|2,0,0]=4 435 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,2,0|2,0,0]=4 436 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,2,0|2,0,0]=4 437 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,2,0|1,0,0]=3 438 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,2,0|1,0,0]=3 439 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,2,0|1,0,1]=4 440 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,2,0|1,0,1]=4 441 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,2,0|1,0,1]=4 442 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,2,0|2,0,0]=4 443 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,2,0|2,0,0]=4 444 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,2,0|2,0,0]=4 445 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,2,0|2,0,0]=4 446 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,2,0|2,0,0]=4 447 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,2,0|2,0,0]=4 448 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,2,0|2,0,0]=4 449 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,2,0|2,0,0]=4 450 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,2,0|2,0,0]=4 451 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,2,0|2,0,0]=4 452 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,2,0|2,0,0]=4 453 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,2,0|2,0,0]=4 454 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,2,0|2,0,0]=4 455 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,2,0|2,0,0]=4 456 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,2,0|2,0,0]=4 457 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,2,0|2,0,0]=4 458 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,2,0|2,0,0]=4 459 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,1|0,0,2]=4 460 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,1|0,0,2]=4 461 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,1|1,0,1]=4